Research workbench
Structure of active human M2 muscarinic acetylcholine receptor bound to the agonist iperoxo
Analyse Structure of active human M2 muscarinic acetylcholine receptor bound to the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4MQS
- Type
- protein
- Length
- 398 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Muscarinic acetylcholine receptor M2; Nanobody 9-8
- UniProt
- P08172
- Ligands
- IXO
- Pockets
- 4 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 57% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Muscarinic acetylcholine receptor M2 | protein | 277 | 79% helix, 0% strand | P08172 |
| B | Nanobody 9-8 | protein | 121 | 7% helix, 50% strand | — |
Ligands and binding sites
- IXO · 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 73 | 0.76 | 0.99 | 17 | IXO |
| 2 | 392 | 0.70 | 0.82 | 37 | empty |
| 3 | 196 | 0.52 | 0.77 | 29 | empty |
| 4 | 68 | 0.37 | 0.78 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 844 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 4MQS · Structure of active human M2 muscarinic acetylcholine receptor bound to the agonist… · the same entry in another collection · chain A against A, TM-score 1.00
- P08172 · AlphaFold monomer V2.0 prediction for muscarinic acetylcholine receptor M2 (P08172) · a predicted model of the same protein · chain A against A, TM-score 0.92
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P08172
- Elsewhere: RCSB PDB 4MQS · PDBe 4MQS · UniProt P08172
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